Geometry & MOs

Info

ID:	230310
PubChem CID:	87570629
Reduced:	O3C10H12 (4)
Stoich.:	A3B10C12 (4)
Weight, g/mol:	428.219889
ΔH_f, kcal/mol:	-264.32
Dipole, Da:	3.63
IP(EA), eV:	-8.4(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1-adamantyl)-3,5-bis(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=C(C(=CC(=C4)OCC5CO5)OCC6CO6)OCC7CO7)C8=C(C(=CC(=C8)OCC9CO9)OCC1CO1)OCC1CO1

DOS

IR

Vibrations